4-N-(2-bromo-4-methylphenyl)-2-ethylpyrimidine-4,6-diamine

C13H15BrN4 — CID 80934075

IUPAC4-N-(2-bromo-4-methylphenyl)-2-ethylpyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(Nc2ccc(C)cc2Br)n1
InChIInChI=1S/C13H15BrN4/c1-3-12-17-11(15)7-13(18-12)16-10-5-4-8(2)6-9(10)14/h4-7H,3H2,1-2H3,(H3,15,16,17,18)
InChIKeySUONMGFTJMQIBU-UHFFFAOYSA-N
MW307.20 g/mol
LogP3.44
Rot. Bonds3

About 4-N-(2-bromo-4-methylphenyl)-2-ethylpyrimidine-4,6-diamine

4-N-(2-bromo-4-methylphenyl)-2-ethylpyrimidine-4,6-diamine (PubChem CID 80934075) has the molecular formula C13H15BrN4 and a molecular weight of 307.20 g/mol. Its IUPAC name is 4-N-(2-bromo-4-methylphenyl)-2-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-4-methylphenyl)-2-ethylpyrimidine-4,6-diamine
PubChem CID80934075
Molecular FormulaC13H15BrN4
Molecular Weight307.20 g/mol
Exact Mass306.05
IUPAC Name4-N-(2-bromo-4-methylphenyl)-2-ethylpyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(Nc2ccc(C)cc2Br)n1
InChIInChI=1S/C13H15BrN4/c1-3-12-17-11(15)7-13(18-12)16-10-5-4-8(2)6-9(10)14/h4-7H,3H2,1-2H3,(H3,15,16,17,18)
InChIKeySUONMGFTJMQIBU-UHFFFAOYSA-N
XLogP3.44
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-4-methylphenyl)-2-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-bromo-4-methylphenyl)-2-ethylpyrimidine-4,6-diamine (CID 80934075) is 4-N-(2-bromo-4-methylphenyl)-2-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-bromo-4-methylphenyl)-2-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-bromo-4-methylphenyl)-2-ethylpyrimidine-4,6-diamine is CCc1nc(N)cc(Nc2ccc(C)cc2Br)n1.
What is the InChIKey of 4-N-(2-bromo-4-methylphenyl)-2-ethylpyrimidine-4,6-diamine?
The InChIKey is SUONMGFTJMQIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-3-12-17-11(15)7-13(18-12)16-10-5-4-8(2)6-9(10)14/h4-7H,3H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 4-N-(2-bromo-4-methylphenyl)-2-ethylpyrimidine-4,6-diamine?
4-N-(2-bromo-4-methylphenyl)-2-ethylpyrimidine-4,6-diamine has a molecular weight of 307.20 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromo-4-methylphenyl)-2-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80934075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).